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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-03-c1/3n-cymephos-03-c1-orcasp 3n-cymephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57517568; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-02-ts-rxt-c1/3f-pcy2tbu-02-ts-rxt-c1-opt 3f-pcy2tbu-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.42248830; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-45-p1-h2o/3d-pcpt3-45-p1-h2o-opt 3d-pcpt3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2520.09427456; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn05-c2/3m-cyjohnphos-6cn05-c2-opt 3m_cyjohnphos_6cn05_c2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2204.86674881; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-21-t4/3x-tbubrettphos-21-t4-opt 3x-tbubrettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.15897377; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-13-t1/3n-cymephos-13-t1-opt 3n-cymephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.98356032; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome07-ts-c2-c3/3t-tbujohnphos-6ome07-ts-c2-c3-orcasp 3t_tbujohnphos_6ome07_ts_c2_c3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2146.54912482; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome06-c2-h2o/3t-tbujohnphos-6ome06-c2-h2o-orcasp 3t_tbujohnphos_6ome06_c2_h2o | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2146.56393418; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-10-ts-c3-c4/3e-pcy3-10-ts-c3-c4-orcasp 3e-pcy3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1707.95924711; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-41-p1-boh3/3c-pipr3-41-p1-boh3-orcasp 3c-pipr3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2230.04976878; Eh |
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